Rank Restriction for the Variational Calculation of Two-electron Reduced Density Matrices of Many-electron Atoms and Molecules

Kasra Naftchi-Ardebili, Nathania W. Hau, David A. Mazziotti

Variational minimization of the ground-state energy as a function of the two-electron reduced density matrix (2-RDM), constrained by necessary $N$-representability conditions, prov…